CAS 98191-30-1 3,5-Dichloro-4-fluorobenzoic acid (HCID 19971303)

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Basic information

CAS: 98191-30-1
Standard SMILES: O=C(O)c1cc(Cl)c(F)c(Cl)c1
InChIKey: CRRHVMZOOBWYRG-UHFFFAOYSA-N
Molecular formula: C7H3Cl2FO2
Average molar mass: 209 g/mol
Monoisotopic mass: 207.94941292

Names & identifiers

Preferred name: 3,5-Dichloro-4-fluorobenzoic acid
IUPAC: 3,5-dichloro-4-fluorobenzoic acid
English name: 3,5-Dichloro-4-fluorobenzoic acid
Molecular formula: C7H3Cl2FO2
Molecular weight: 209

Names & synonyms

3,5-Dichloro-4-fluorobenzoic acid98191-30-1DTXSID40601570RefChem:271660DTXCID50552327630-169-1MFCD038404633,5-Dichloro-4-fluoro-benzoic acidBenzoic acid, 3,5-dichloro-4-fluoro-SCHEMBL6676613,5-Dichloro-4-fluorobenzoicacidCK1065

Show more names

AKOS015890020AC-3946AM8417SBB064518FD42964PS-10145SY064679DB-004605

Database identifiers

CAS: 98191-30-1
PubChem CID: 19971303
DTXSID: DTXSID40601570
EC Number: 630-169-1

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 176

Physicochemical properties

Boiling point: 317.7 · 317.7±37.0 °C(Predicted)
Density: 1.606 · 1.606
storage temp.: Sealed in dry,Room Temperature
form: powder
pka: 3.4 · 3.40±0.10(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.